SpectraBase Compound ID | By03cxz84RQ |
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InChI | InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3/i2D3,3D3 |
InChIKey | IJMWOMHMDSDKGK-XERRXZQWSA-N |
Mol Weight | 122.2 g/mol |
Molecular Formula | C6H6D6O2 |
Exact Mass | 122.12139 g/mol |
SpectraBase Spectrum ID | 3tqQNatz7Iv |
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Name | Isopropyl-D6 propionate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C6H6D6O2 |
InChI | InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3/i2D3,3D3 |
InChIKey | IJMWOMHMDSDKGK-XERRXZQWSA-N |
Literature Reference DOI | 10.1139/v66-246 |
Molecular Weight | 122.197 g/mol |
SMILES | C(=O)(OC(C([D])([D])[D])C([D])([D])[D])CC |
SPLASH | splash10-002b-9000000000-3e67e157029621156748 |
Source of Spectrum | I-43-961-14 |
Wiley ID | 1125761 |